ethane;3-methylidene-N-[(Z)-prop-1-enyl]-1-propylpyrrol-2-imine

C13H22N2 — CID 144801132

IUPACethane;3-methylidene-N-[(Z)-prop-1-enyl]-1-propylpyrrol-2-imine
SMILESC=C1C=CN(CCC)/C1=N\C=C/C.CC
InChIInChI=1S/C11H16N2.C2H6/c1-4-7-12-11-10(3)6-9-13(11)8-5-2;1-2/h4,6-7,9H,3,5,8H2,1-2H3;1-2H3/b7-4-,12-11-;
InChIKeyWHDUVJCMBPAZLS-MBRFXBDASA-N
MW206.33 g/mol
LogP3.74
Rot. Bonds3

About ethane;3-methylidene-N-[(Z)-prop-1-enyl]-1-propylpyrrol-2-imine

ethane;3-methylidene-N-[(Z)-prop-1-enyl]-1-propylpyrrol-2-imine (PubChem CID 144801132) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is ethane;3-methylidene-N-[(Z)-prop-1-enyl]-1-propylpyrrol-2-imine.

Molecular Properties

Compound Nameethane;3-methylidene-N-[(Z)-prop-1-enyl]-1-propylpyrrol-2-imine
PubChem CID144801132
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Nameethane;3-methylidene-N-[(Z)-prop-1-enyl]-1-propylpyrrol-2-imine
SMILESC=C1C=CN(CCC)/C1=N\C=C/C.CC
InChIInChI=1S/C11H16N2.C2H6/c1-4-7-12-11-10(3)6-9-13(11)8-5-2;1-2/h4,6-7,9H,3,5,8H2,1-2H3;1-2H3/b7-4-,12-11-;
InChIKeyWHDUVJCMBPAZLS-MBRFXBDASA-N
XLogP3.74
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze ethane;3-methylidene-N-[(Z)-prop-1-enyl]-1-propylpyrrol-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;3-methylidene-N-[(Z)-prop-1-enyl]-1-propylpyrrol-2-imine?
The IUPAC name of ethane;3-methylidene-N-[(Z)-prop-1-enyl]-1-propylpyrrol-2-imine (CID 144801132) is ethane;3-methylidene-N-[(Z)-prop-1-enyl]-1-propylpyrrol-2-imine.
What is the SMILES notation for ethane;3-methylidene-N-[(Z)-prop-1-enyl]-1-propylpyrrol-2-imine?
The canonical SMILES for ethane;3-methylidene-N-[(Z)-prop-1-enyl]-1-propylpyrrol-2-imine is C=C1C=CN(CCC)/C1=N\C=C/C.CC.
What is the InChIKey of ethane;3-methylidene-N-[(Z)-prop-1-enyl]-1-propylpyrrol-2-imine?
The InChIKey is WHDUVJCMBPAZLS-MBRFXBDASA-N. The full InChI is InChI=1S/C11H16N2.C2H6/c1-4-7-12-11-10(3)6-9-13(11)8-5-2;1-2/h4,6-7,9H,3,5,8H2,1-2H3;1-2H3/b7-4-,12-11-;.
What are the key properties of ethane;3-methylidene-N-[(Z)-prop-1-enyl]-1-propylpyrrol-2-imine?
ethane;3-methylidene-N-[(Z)-prop-1-enyl]-1-propylpyrrol-2-imine has a molecular weight of 206.33 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methylidene-N-[(Z)-prop-1-enyl]-1-propylpyrrol-2-imine is sourced from PubChem (CID 144801132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).